All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
10085 hydroxycolorenone hydroxycolorenone hydroxycolorenone C15H24O2 236.178 InChIKey=YXZJYDYPBCUCJX-WCQGTBRESA-N No Yes
10086 4,5-Didehydro-1beta,11-dihydroxy-4-methyl-15-norambrosan-3-one 4,5-Didehydro-1beta,11-dihydroxy-4-methyl-15-norambrosan-3-one 4,5-Didehydro-1beta,11-dihydroxy-4-methyl-15-norambrosan-3-one C15H24O3 252.173 InChIKey=SMEFKWNTSRXSLE-ISOBSLSZSA-N No Yes
10087 4,5-Didehydro-6alpha,11-dihydroxy-4-methyl-15-norambrosan-3-one 4,5-Didehydro-6alpha,11-dihydroxy-4-methyl-15-norambrosan-3-one 4,5-Didehydro-6alpha,11-dihydroxy-4-methyl-15-norambrosan-3-one C15H24O3 252.173 InChIKey=NGTRXUGCKRCAQE-CBRVECNMSA-N No Yes
10088 (1S,9R)-6-(Hydroxymethyl)-2-methyl-10-methylene-12-oxatricyclo[7.3.1.01,5]trideca-2,5-diene-4,11-dione (1S,9R)-6-(Hydroxymethyl)-2-methyl-10-methylene-12-oxatricyclo[7.3.1.01,5]trideca-2,5-diene-4,11-dione (1S,9R)-6-(Hydroxymethyl)-2-methyl-10-methylene-12-oxatricyclo[7.3.1.01,5]trideca-2,5-diene-4,11-dione C15H16O4 260.105 InChIKey=SPZKJZJNPQNEKT-BMIGLBTASA-N No Yes
10089 [(1S,9R)-2-Methyl-10-methylene-4,11-dioxo-12-oxatricyclo[7.3.1.01,5]trideca-2,5-dien-6-yl]methyl β-L-glucopyranoside [(1S,9R)-2-Methyl-10-methylene-4,11-dioxo-12-oxatricyclo[7.3.1.01,5]trideca-2,5-dien-6-yl]methyl β-L-glucopyranoside [(1S,9R)-2-Methyl-10-methylene-4,11-dioxo-12-oxatricyclo[7.3.1.01,5]trideca-2,5-dien-6-yl]methyl β-L-glucopyranoside C21H26O9 422.158 InChIKey=OGBHHUAQJLETIY-ADJBLJIQSA-N No Yes
10090 14-Hydroxyhypocretenolide-b-D-glucopyranoside-4',14”-hydroxyhypocretenoate. 14-Hydroxyhypocretenolide-b-D-glucopyranoside-4',14”-hydroxyhypocretenoate. 14-Hydroxyhypocretenolide-b-D-glucopyranoside-4',14”-hydroxyhypocretenoate. C36H42O13 682.263 InChIKey=ZEETYDSXZRFRER-ZGKKBNFYSA-N No Yes
10091 Dehydro-costuslactone Dehydro-costuslactone Dehydro-costuslactone C15H18O2 230.131 InChIKey=NETSQGRTUNRXEO-XUXIUFHCSA-N No Yes
10092 11,13-Epoxydehydrocostuslactone 11,13-Epoxydehydrocostuslactone 11,13-Epoxydehydrocostuslactone C15H18O3 246.126 InChIKey=NJBCAHFQVWKXSX-KBRXKUPHSA-N No Yes
10093 11,13-Epoxysozaluzanin C 11,13-Epoxysozaluzanin C 11,13-Epoxysozaluzanin C C15H18O4 262.121 InChIKey=GMPWRYKQUPDTMN-WJLGXSQGSA-N No Yes
10094 11,13-Epoxy-3-keto-dehydrocostuslactone 11,13-Epoxy-3-keto-dehydrocostuslactone 11,13-Epoxy-3-keto-dehydrocostuslactone C15H16O4 260.105 InChIKey=DJGLGXXXPMRUCU-BOWTYGHESA-N No Yes
10095 2-Acetoxy-3a,4a-epoxy-3,4-dihydrokauniolide 2-Acetoxy-3a,4a-epoxy-3,4-dihydrokauniolide 2-Acetoxy-3a,4a-epoxy-3,4-dihydrokauniolide C17H20O5 304.131 InChIKey=OPZDJIAATYZTHJ-BBDFKTPWSA-N No Yes
10096 Eminensin A Eminensin A Eminensin A C15H16O4 260.105 InChIKey=IQFFYNSHANWLIR-FJKOOJNLSA-N No Yes
10097 Tamaulipin B acetate Tamaulipin B acetate Tamaulipin B acetate C17H22O4 290.152 InChIKey=XENYZNVJFQEFDC-DUUXJKDPSA-N No Yes
10098 Eminensin B Eminensin B Eminensin B C15H22O4 266.152 InChIKey=NZLXVTHNPSCQMS-OKNSCYNVSA-N No Yes
10099 Costic acid methyl ester Costic acid methyl ester Costic acid methyl ester C16H24O2 248.178 InChIKey=WQPKMCCPWWJBMZ-IJEWVQPXSA-N No Yes
10100 C16H20O5 292.131 InChIKey=VDVMPSOXGVTKJY-NEAYCMDDSA-N No Yes
10101 (+)-gamma-Gurjunene (+)-gamma-Gurjunene (+)-gamma-Gurjunene C15H24 204.188 InChIKey=DUYRYUZIBGFLDD-AAVRWANBSA-N No Yes
10102 2-[(1R)-1,2,3,3abeta,4,5,6,7-Octahydro-1alpha,4alpha-dimethylazulen-7beta-yl]-1,2-propanediol 2-[(1R)-1,2,3,3abeta,4,5,6,7-Octahydro-1alpha,4alpha-dimethylazulen-7beta-yl]-1,2-propanediol 2-[(1R)-1,2,3,3abeta,4,5,6,7-Octahydro-1alpha,4alpha-dimethylazulen-7beta-yl]-1,2-propanediol C15H26O2 238.193 InChIKey=HPIKFWIDHCWTLO-DVKSKCSOSA-N No Yes
10103 (1R)-1,2,3,3abeta,4,5,6,7-Octahydro-1alpha,4-dimethyl-7beta-(1,2-dihydroxy-1-methylethyl)azulen-4beta-ol (1R)-1,2,3,3abeta,4,5,6,7-Octahydro-1alpha,4-dimethyl-7beta-(1,2-dihydroxy-1-methylethyl)azulen-4beta-ol (1R)-1,2,3,3abeta,4,5,6,7-Octahydro-1alpha,4-dimethyl-7beta-(1,2-dihydroxy-1-methylethyl)azulen-4beta-ol C15H26O3 254.188 InChIKey=DIRLETUBBJIYMQ-GBTROYITSA-N No Yes
10104 (1S,4S,7R,10R)-5-Guaien-13-acetoxy-11-ol (1S,4S,7R,10R)-5-Guaien-13-acetoxy-11-ol (1S,4S,7R,10R)-5-Guaien-13-acetoxy-11-ol C17H28O4 296.199 InChIKey=JYGXGTWMVDIEDA-XRUFJMITSA-N No Yes
10107 Elypeotriol Elypeotriol Elypeotriol C15H26O3 254.188 InChIKey=IVMFADZCHPAULC-MXYBEHONSA-N No Yes
10108 3α,4α-Epoxyrupicolin-A 3α,4α-Epoxyrupicolin-A 3α,4α-Epoxyrupicolin-A C15H18O5 278.115 InChIKey=PZDRZDGLTHNUDS-LMGGXVIJSA-N No Yes
10109 3α,4α-Epoxyrupicolin-B 3α,4α-Epoxyrupicolin-B 3α,4α-Epoxyrupicolin-B C15H18O5 278.115 InChIKey=AHTLNYYIAWQJGO-LMGGXVIJSA-N No Yes
10110 Crithmifolide Crithmifolide Crithmifolide C15H18O6 294.110 InChIKey=NPBFXZQVEHCIBA-QZDZPCRWSA-N No Yes
10111 6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8b-methoxyeremophil-7(11)-en-12,8a-olide 6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8b-methoxyeremophil-7(11)-en-12,8a-olide 6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8b-methoxyeremophil-7(11)-en-12,8a-olide C21H32O6 380.220 InChIKey=UDVLOCQBYDZUGP-YEKNMDJPSA-N No Yes
10112 6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8a-methoxyeremophil-7(11)-en-12,8b-olide 6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8a-methoxyeremophil-7(11)-en-12,8b-olide 6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8a-methoxyeremophil-7(11)-en-12,8b-olide C21H32O6 380.220 InChIKey=UDVLOCQBYDZUGP-RITKGDBTSA-N No Yes
10113 6b-[2'-Methylbutanoyloxy]-3b-acetoxy-8b,10b-dihydroxyeremophil-7(11)-en-12,8-olide 6b-[2'-Methylbutanoyloxy]-3b-acetoxy-8b,10b-dihydroxyeremophil-7(11)-en-12,8-olide 6b-[2'-Methylbutanoyloxy]-3b-acetoxy-8b,10b-dihydroxyeremophil-7(11)-en-12,8-olide C22H32O8 424.210 InChIKey=PYWWYMODOVTHRW-WWPQKBRLSA-N No Yes
10114 3a,4a-Epoxy-6a-(2'-methylacryloyl)oxy-8a-methoxyeremophil-7(11)-en-8b,12-olide 3a,4a-Epoxy-6a-(2'-methylacryloyl)oxy-8a-methoxyeremophil-7(11)-en-8b,12-olide 3a,4a-Epoxy-6a-(2'-methylacryloyl)oxy-8a-methoxyeremophil-7(11)-en-8b,12-olide C20H26O6 362.173 InChIKey=SSYQMNDGFXCNMB-GTAIGVONSA-N No Yes
10115 3a,4a-Epoxy-6a-(2-methyl acryl oyl )oxy-8a-ethoxyeremophil-7(11)-en-8b, 12-olide 3a,4a-Epoxy-6a-(2-methyl acryl oyl )oxy-8a-ethoxyeremophil-7(11)-en-8b, 12-olide 3a,4a-Epoxy-6a-(2-methyl acryl oyl )oxy-8a-ethoxyeremophil-7(11)-en-8b, 12-olide C21H28O6 376.189 InChIKey=GJIDPWBARSOWCZ-PDOGPFKTSA-N No Yes
10117 Tessaric acid Tessaric acid Tessaric acid C15H20O3 248.141 InChIKey=GAWKUNMREBFQOL-ZVWUFJHRSA-N No Yes
10118 3,5,11(13)-Trieneudesma-12-oic acid 3,5,11(13)-Trieneudesma-12-oic acid 3,5,11(13)-Trieneudesma-12-oic acid C15H20O2 232.146 InChIKey=PPPHDQNXPNUKNK-IUODEOHRSA-N No Yes
10120 Petasone B Petasone B Petasone B C19H26O4S1 350.155 InChIKey=GJJOCUQOAXECJY-GIMDOYSESA-N No Yes
10126 Muurolane-4b,5b,10b-triol Muurolane-4b,5b,10b-triol Muurolane-4b,5b,10b-triol C15H28O3 256.204 InChIKey=MOTZIEZYHAAEBY-SOAFEQHCSA-N No Yes
10127 Acetyloxy-7-isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-10-ol Acetyloxy-7-isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-10-ol Acetyloxy-7-isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-10-ol C17H28O3 280.204 InChIKey=MCYALLBNGPQMGA-HHARLNAUSA-N No Yes
10129 Isopropyl-1,7-dimethyl-11-oxatricyclo[6.2.1.05,10]undec-6-ene Isopropyl-1,7-dimethyl-11-oxatricyclo[6.2.1.05,10]undec-6-ene Isopropyl-1,7-dimethyl-11-oxatricyclo[6.2.1.05,10]undec-6-ene C15H24O1 220.183 InChIKey=AGSIUJRIZJSXEN-ARILJUKYSA-N No Yes
10130 Isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-3,10-diol Isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-3,10-diol Isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-3,10-diol C15H26O2 238.193 InChIKey=DGZPYTSARMEKSO-RYPNDVFKSA-N No Yes
10131 (?)-(1R,6S,7S,10R)-1-hydroxycadinan-3-ene-5-one (?)-(1R,6S,7S,10R)-1-hydroxycadinan-3-ene-5-one (?)-(1R,6S,7S,10R)-1-hydroxycadinan-3-ene-5-one C15H24O2 236.178 InChIKey=DTKVUCPWKSABCL-QVHKTLOISA-N No Yes
10132 (+)-(1R,5S,6R,7S,10R)-cadinan-3-ene-1,5-diol (+)-(1R,5S,6R,7S,10R)-cadinan-3-ene-1,5-diol (+)-(1R,5S,6R,7S,10R)-cadinan-3-ene-1,5-diol C15H26O2 238.193 InChIKey=DICWRYPRNPIQED-XLWJZTARSA-N No Yes
10133 (+)-(1R,5R,6R,7S,10R)-cadinan-3-ene-1,5-diol (+)-(1R,5R,6R,7S,10R)-cadinan-3-ene-1,5-diol (+)-(1R,5R,6R,7S,10R)-cadinan-3-ene-1,5-diol C15H26O2 238.193 InChIKey=DICWRYPRNPIQED-QKGCVVFFSA-N No Yes
10134 (+)-(1R,5S,6R,7S,10R)-cadinan-4(11)-ene-1,5-diol (+)-(1R,5S,6R,7S,10R)-cadinan-4(11)-ene-1,5-diol (+)-(1R,5S,6R,7S,10R)-cadinan-4(11)-ene-1,5-diol C15H26O2 238.193 InChIKey=DQLZODFYAUOOHY-XLWJZTARSA-N No Yes
10135 (+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol (+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol (+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol C15H26O3 254.188 InChIKey=QKNTUHOWMWQXOD-XLFUENPSSA-N No Yes
10136 CHEMBL462750 CHEMBL462750 CHEMBL462750 C15H28O3 256.204 InChIKey=NYZINEQQHFXDCC-ARSDKDGVSA-N No Yes
10137 (?)-(1R,6R,7S,10R)-11-oxocadinan-4-en-1-ol (?)-(1R,6R,7S,10R)-11-oxocadinan-4-en-1-ol (?)-(1R,6R,7S,10R)-11-oxocadinan-4-en-1-ol C15H24O2 236.178 InChIKey=DMCMOBXHHMUOPV-UQOMUDLDSA-N No Yes
10138 Xenotorin A Xenotorin A Xenotorin A C15H24O1 220.183 InChIKey=VSKFQHOVPUQNSE-MQFWEAQZSA-N No Yes
10139 Xenotorin B Xenotorin B Xenotorin B C15H22O1 218.167 InChIKey=SIZHTHJIDBXZNM-DNVSUFBTSA-N No Yes
10140 Xenotorin C Xenotorin C Xenotorin C C15H24O1 220.183 InChIKey=NQKWUNQUPNPCCJ-LXFSFDBISA-N No Yes
10141 Xenotorin D Xenotorin D Xenotorin D C15H24O2 236.178 InChIKey=AGVVMVNNMJUBCX-HIDDOJLPSA-N No Yes
10142 Xenotorin E Xenotorin E Xenotorin E C15H22O2 234.162 InChIKey=HOLIHXDZFDKQLT-HQRZJTNHSA-N No Yes
10143 Xenotorin F Xenotorin F Xenotorin F C15H22O2 234.162 InChIKey=HOLIHXDZFDKQLT-LVGORTOPSA-N No Yes
10144 (4S,10aS)-3-(Ethoxymethyl)-4beta,6beta,10alpha-triacetoxy-6,9alpha-dimethyl-6aalpha,9-dihydroxy-4,5,6,6a,7,8,9,10-octahydro-2H-naphtho[8a,1-b]furan-2-one (4S,10aS)-3-(Ethoxymethyl)-4beta,6beta,10alpha-triacetoxy-6,9alpha-dimethyl-6aalpha,9-dihydroxy-4,5,6,6a,7,8,9,10-octahydro-2H-naphtho[8a,1-b]furan-2-one (4S,10aS)-3-(Ethoxymethyl)-4beta,6beta,10alpha-triacetoxy-6,9alpha-dimethyl-6aalpha,9-dihydroxy-4,5,6,6a,7,8,9,10-octahydro-2H-naphtho[8a,1-b]furan-2-one C23H32O11 484.194 InChIKey=LGJQJUDAOYMIQX-YNWMNUHISA-N No Yes